3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C17H20ClN3 — CID 43707963

IUPAC3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H20ClN3/c1-21(2)17-16(4-3-9-19-17)20-15-10-13(11-15)12-5-7-14(18)8-6-12/h3-9,13,15,20H,10-11H2,1-2H3
InChIKeyUFAATANEVSYKSG-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.16
Rot. Bonds4

About 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43707963) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43707963
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H20ClN3/c1-21(2)17-16(4-3-9-19-17)20-15-10-13(11-15)12-5-7-14(18)8-6-12/h3-9,13,15,20H,10-11H2,1-2H3
InChIKeyUFAATANEVSYKSG-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43707963) is 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine is CN(C)c1ncccc1NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is UFAATANEVSYKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-21(2)17-16(4-3-9-19-17)20-15-10-13(11-15)12-5-7-14(18)8-6-12/h3-9,13,15,20H,10-11H2,1-2H3.
What are the key properties of 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 301.82 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43707963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).